Vincent Fletcher
Current Work:
A Complete Thermodynamic Description of Alloys to Extreme Pressure and Temperature
In October 2022 I joined the HetSys CDT and began work on a PhD in physics. The aim of my project is to develop a first-principles theoretical and computational scheme that provides a complete thermodynamic description of alloys under both ambient and extreme conditions. By 'complete' I mean a technique that is able to compute the Helmholtz free energy of the system, which can then be used to determine properties such as the equation of state and phase boundaries together with properties across boundaries such as latent heats.
Click the link to my project page for further detailsLink opens in a new window.
My project is in collaboration with our industry partner AWE - Nuclear Security TechnologiesLink opens in a new window
Supervising my project is Dr Albert Bartók-PártayLink opens in a new window, and Dr Livia Bartók-PártayLink opens in a new window.
Background:
Prior to starting my PhD project, in July 2022 I received a first class masters degree in chemistry (MChem) from the University of Warwick. While undertaking my degree, my studies focussed on organic, physical, computational, and quantum chemistry. For my final year project I worked in the Habershon research groupLink opens in a new window with Dr Gareth RichingsLink opens in a new window, applying recent advancements in machine learning to ab-initio quantum dynamics calculations, to study the fluorescence properties of HINA and HPALink opens in a new window.
Conferences:
--2024--
GAP/(M)ACE Developers & Users Meeting, September 2024
-Contributed Talk
Computational Molecular Science (CMS), September 2024
-Contributed Talk
HetSys Summer Conference, July 2024
-Contributed Talk
Machine Learning for Quantum Mechanics (ML4QM), May 2024
--2023--
GAP/(M)ACE Developers & Users Meeting 2023
HetSys Summer Conference, July 2023
AWE Student Conference, April 2023
--2022--
CASTEP Training Workshop, August 2022
Teaching:
As a graduate teaching assistant I have taught in the following modules:
PX159Link opens in a new window- Physics Programming:
A first year undergraduate physics module teaching Python programming in a physics context.
PX911Link opens in a new window- Multiscale Modelling Methods and Applications 1
A postgraduate physics module teaching molecular dynamics, machine learning, and electronic structure.
Key Words:
Statistical Mechanics, Machine Learning, Thermodynamics, Ab-Initio, Density Functional Theory (DFT), Phase Boundaries, Crystal Structures, Quantum Chemistry, Chemistry, Physics, Programming
